4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydrothieno[2,3-c]pyridin-7-one

C29H32N4O4S — CID 42635053

IUPAC4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydrothieno[2,3-c]pyridin-7-one
SMILESCC1(C)NC(=O)c2sc(N3CCOCC3)c(-c3ccnc(-c4cccc(C(=O)N5CCCC5)c4)c3)c2C1O
InChIInChI=1S/C29H32N4O4S/c1-29(2)25(34)23-22(28(33-12-14-37-15-13-33)38-24(23)26(35)31-29)19-8-9-30-21(17-19)18-6-5-7-20(16-18)27(36)32-10-3-4-11-32/h5-9,16-17,25,34H,3-4,10-15H2,1-2H3,(H,31,35)
InChIKeyMNKDZWMLYYIVQR-UHFFFAOYSA-N
MW532.67 g/mol
LogP4.11
Rot. Bonds4

About 4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydrothieno[2,3-c]pyridin-7-one

4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydrothieno[2,3-c]pyridin-7-one (PubChem CID 42635053) has the molecular formula C29H32N4O4S and a molecular weight of 532.67 g/mol. Its IUPAC name is 4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydrothieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydrothieno[2,3-c]pyridin-7-one
PubChem CID42635053
Molecular FormulaC29H32N4O4S
Molecular Weight532.67 g/mol
Exact Mass532.21
IUPAC Name4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydrothieno[2,3-c]pyridin-7-one
SMILESCC1(C)NC(=O)c2sc(N3CCOCC3)c(-c3ccnc(-c4cccc(C(=O)N5CCCC5)c4)c3)c2C1O
InChIInChI=1S/C29H32N4O4S/c1-29(2)25(34)23-22(28(33-12-14-37-15-13-33)38-24(23)26(35)31-29)19-8-9-30-21(17-19)18-6-5-7-20(16-18)27(36)32-10-3-4-11-32/h5-9,16-17,25,34H,3-4,10-15H2,1-2H3,(H,31,35)
InChIKeyMNKDZWMLYYIVQR-UHFFFAOYSA-N
XLogP4.11
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.67
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydrothieno[2,3-c]pyridin-7-one with MolForge

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Related Compounds

5,5-dimethyl-3-[2-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]-4-pyridinyl]-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one
CID 68776456
5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(piperidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydro-1-benzothiophen-7-one
CID 68774667
(4R)-4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-3-[2-(3-morpholin-4-ylphenyl)-4-pyridinyl]-4,6-dihydro-1-benzothiophen-7-one
CID 42634178
tert-butyl N-[1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]benzoyl]piperidin-4-yl]-N-methylcarbamate
CID 90929669
3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-N,N-dimethylbenzamide
CID 68776290
3-[4-(4-amino-5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-2-pyridinyl]-N,N-dimethylbenzamide
CID 42633452
5,5-dimethyl-3-[2-(3-methylphenyl)-4-pyridinyl]-2-morpholin-4-yl-4,6-dihydro-1-benzothiophen-7-one
CID 68776609
N-[[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-2-pyridinyl]phenyl]methyl]acetamide
CID 68776372
1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-2-pyridinyl]phenyl]-3-piperidin-4-ylurea
CID 68776619
N-[[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-2-pyridinyl]phenyl]methyl]methanesulfonamide
CID 68777437
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
3-[2-amino-6-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1-benzothiophen-7-one
CID 68775778

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydrothieno[2,3-c]pyridin-7-one?
The IUPAC name of 4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydrothieno[2,3-c]pyridin-7-one (CID 42635053) is 4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydrothieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydrothieno[2,3-c]pyridin-7-one?
The canonical SMILES for 4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydrothieno[2,3-c]pyridin-7-one is CC1(C)NC(=O)c2sc(N3CCOCC3)c(-c3ccnc(-c4cccc(C(=O)N5CCCC5)c4)c3)c2C1O.
What is the InChIKey of 4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydrothieno[2,3-c]pyridin-7-one?
The InChIKey is MNKDZWMLYYIVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4S/c1-29(2)25(34)23-22(28(33-12-14-37-15-13-33)38-24(23)26(35)31-29)19-8-9-30-21(17-19)18-6-5-7-20(16-18)27(36)32-10-3-4-11-32/h5-9,16-17,25,34H,3-4,10-15H2,1-2H3,(H,31,35).
What are the key properties of 4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydrothieno[2,3-c]pyridin-7-one?
4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydrothieno[2,3-c]pyridin-7-one has a molecular weight of 532.67 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydrothieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 42635053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).